trimethyl-[(3R,5R)-5-methyl-4,4-dioxo-4λ6-thiatricyclo[5.2.1.02,6]dec-8-en-3-yl]silane

C13H22O2SSi — CID 134898114

IUPACtrimethyl-[(3R,5R)-5-methyl-4,4-dioxo-4λ6-thiatricyclo[5.2.1.02,6]dec-8-en-3-yl]silane
SMILESCC1C2C3C=CC(C3)C2C([Si](C)(C)C)S1(=O)=O
InChIInChI=1S/C13H22O2SSi/c1-8-11-9-5-6-10(7-9)12(11)13(16(8,14)15)17(2,3)4/h5-6,8-13H,7H2,1-4H3
InChIKeyQIFIAYLZHLWHEV-UHFFFAOYSA-N
MW270.47 g/mol
LogP2.49
Rot. Bonds1

About trimethyl-[(3R,5R)-5-methyl-4,4-dioxo-4λ6-thiatricyclo[5.2.1.02,6]dec-8-en-3-yl]silane

trimethyl-[(3R,5R)-5-methyl-4,4-dioxo-4λ6-thiatricyclo[5.2.1.02,6]dec-8-en-3-yl]silane (PubChem CID 134898114) has the molecular formula C13H22O2SSi and a molecular weight of 270.47 g/mol. Its IUPAC name is trimethyl-[(3R,5R)-5-methyl-4,4-dioxo-4λ6-thiatricyclo[5.2.1.02,6]dec-8-en-3-yl]silane.

Molecular Properties

Compound Nametrimethyl-[(3R,5R)-5-methyl-4,4-dioxo-4λ6-thiatricyclo[5.2.1.02,6]dec-8-en-3-yl]silane
PubChem CID134898114
Molecular FormulaC13H22O2SSi
Molecular Weight270.47 g/mol
Exact Mass270.11
IUPAC Nametrimethyl-[(3R,5R)-5-methyl-4,4-dioxo-4λ6-thiatricyclo[5.2.1.02,6]dec-8-en-3-yl]silane
SMILESCC1C2C3C=CC(C3)C2C([Si](C)(C)C)S1(=O)=O
InChIInChI=1S/C13H22O2SSi/c1-8-11-9-5-6-10(7-9)12(11)13(16(8,14)15)17(2,3)4/h5-6,8-13H,7H2,1-4H3
InChIKeyQIFIAYLZHLWHEV-UHFFFAOYSA-N
XLogP2.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.47
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,7-Methanobenzo(b)thiophene, 2,3,3a,4,7,7a-hexahydro-1,1-dioxide, (3aalpha,4alpha,7alpha,7aalpha)-
CID 145259
4,7-Methanobenzo[c]thiophene, 1,3,3a,4,7,7a-hexahydro-2,2-dioxide
CID 145022
(2R,6S)-4lambda6-thiatricyclo[5.2.1.02,6]dec-8-ene 4,4-dioxide
CID 21122530
1,3-Diallyl-1,3,3a,4,7,7a-hexahydro-4,7-methano-2-benzothiophene 2,2-dioxide
CID 122205113
(3S)-3-[(Z)-hept-1-enyl]-4lambda6-thiatricyclo[5.2.1.02,6]dec-8-ene 4,4-dioxide
CID 134887074
(3S)-3-[(E)-hept-1-enyl]-4lambda6-thiatricyclo[5.2.1.02,6]dec-8-ene 4,4-dioxide
CID 134887383
(2R,3S,5R,6S)-3,5-bis(prop-2-enyl)-4lambda6-thiatricyclo[5.2.1.02,6]dec-8-ene 4,4-dioxide
CID 155929168
(1S,3R,4S,5R,7S,8Z,13R)-5-ethenyl-3-pent-4-enyl-2lambda6-thiatricyclo[5.5.1.04,13]tridec-8-ene 2,2-dioxide
CID 155929169
(2S,3R,5S,6R)-3,5-bis(pent-4-enyl)-4lambda6-thiatricyclo[5.2.1.02,6]dec-8-ene 4,4-dioxide
CID 155929170
(2S,3R,5S,6R)-3,5-bis(hex-5-enyl)-4lambda6-thiatricyclo[5.2.1.02,6]dec-8-ene 4,4-dioxide
CID 155929173
(1S,3R,4R,5R,7S,11R)-5-ethenyl-5-methyl-3-prop-2-enyl-2lambda6-thiatricyclo[5.3.1.04,11]undec-8-ene 2,2-dioxide
CID 155929174
6-Butylsulfonyl-3lambda6-thiatricyclo[5.2.1.02,6]dec-8-ene 3,3-dioxide
CID 4872857

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(3R,5R)-5-methyl-4,4-dioxo-4λ6-thiatricyclo[5.2.1.02,6]dec-8-en-3-yl]silane?
The IUPAC name of trimethyl-[(3R,5R)-5-methyl-4,4-dioxo-4λ6-thiatricyclo[5.2.1.02,6]dec-8-en-3-yl]silane (CID 134898114) is trimethyl-[(3R,5R)-5-methyl-4,4-dioxo-4λ6-thiatricyclo[5.2.1.02,6]dec-8-en-3-yl]silane.
What is the SMILES notation for trimethyl-[(3R,5R)-5-methyl-4,4-dioxo-4λ6-thiatricyclo[5.2.1.02,6]dec-8-en-3-yl]silane?
The canonical SMILES for trimethyl-[(3R,5R)-5-methyl-4,4-dioxo-4λ6-thiatricyclo[5.2.1.02,6]dec-8-en-3-yl]silane is CC1C2C3C=CC(C3)C2C([Si](C)(C)C)S1(=O)=O.
What is the InChIKey of trimethyl-[(3R,5R)-5-methyl-4,4-dioxo-4λ6-thiatricyclo[5.2.1.02,6]dec-8-en-3-yl]silane?
The InChIKey is QIFIAYLZHLWHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2SSi/c1-8-11-9-5-6-10(7-9)12(11)13(16(8,14)15)17(2,3)4/h5-6,8-13H,7H2,1-4H3.
What are the key properties of trimethyl-[(3R,5R)-5-methyl-4,4-dioxo-4λ6-thiatricyclo[5.2.1.02,6]dec-8-en-3-yl]silane?
trimethyl-[(3R,5R)-5-methyl-4,4-dioxo-4λ6-thiatricyclo[5.2.1.02,6]dec-8-en-3-yl]silane has a molecular weight of 270.47 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(3R,5R)-5-methyl-4,4-dioxo-4λ6-thiatricyclo[5.2.1.02,6]dec-8-en-3-yl]silane is sourced from PubChem (CID 134898114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).